N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C20H18FN3O2 — CID 9080938

IUPACN-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-14-13-18(25)19(23-24(14)17-5-3-2-4-6-17)20(26)22-12-11-15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyREQVNEZCTVYSQY-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 9080938) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID9080938
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-14-13-18(25)19(23-24(14)17-5-3-2-4-6-17)20(26)22-12-11-15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyREQVNEZCTVYSQY-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 9080938) is N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is REQVNEZCTVYSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-13-18(25)19(23-24(14)17-5-3-2-4-6-17)20(26)22-12-11-15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 9080938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).